SCHEMBL1949634

SCHEMBL1949634

C=CC(=O)OC(CC)(CCCCCCCCCCCCCC)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
THRB P10828 5/20 0.39
FAAH O00519 3/20 0.37
SOAT1 P35610 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
THRA P10827 4/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
SMPD1 P17405 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CES2 O00748 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1952391 1.00 TSHR (0.41) TSHRHPGDTHRBFAAHSOAT1
SCHEMBL1949873 0.94 FAAH (0.46) FAAHSOAT1MEN1KMT2ATP53
SCHEMBL1948608 0.94 FAAH (0.46) FAAHSOAT1MEN1KMT2ATP53
SCHEMBL1955122 0.94 FAAH (0.46) FAAHSOAT1MEN1KMT2ATP53
SCHEMBL1949876 0.94 FAAH (0.46) FAAHSOAT1MEN1KMT2ATP53
SCHEMBL1951436 0.91 TSHR (0.41) TSHRHPGDTHRBFAAHSOAT1
SCHEMBL1953129 0.91 TSHR (0.41) TSHRHPGDTHRBFAAHSOAT1
SCHEMBL1953132 0.91 TSHR (0.41) TSHRHPGDTHRBFAAHSOAT1
SCHEMBL1950681 0.86 FAAH (0.46) FAAHSOAT1MEN1KMT2ATP53
SCHEMBL1950682 0.86 FAAH (0.46) FAAHSOAT1MEN1KMT2ATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136975-A1 MONOMER MIXTURE, POLYMER, COATING MEANS AND METHOD FOR PRODUCING A COATING EVONIK ROEHM GMBH (DE) 2011-06-09 US disclosed